General Information of the Compound
| Compound ID |
CP0296159
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| Compound Name |
methyl (2S)-3-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]-prop-2-enylamino]propanoyl]amino]pentanoyl]amino]butanoate
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| Structure |
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| Formula |
C32H50N4O7
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| Molecular Weight |
602.773
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](C)N(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC
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| InChI |
InChI=1S/C32H50N4O7/c1-11-18-36(29(39)24(19-23-16-14-13-15-17-23)33-31(41)43-32(7,8)9)22(6)27(37)35-26(21(5)12-2)28(38)34-25(20(3)4)30(40)42-10/h11,13-17,20-22,24-26H,1,12,18-19H2,2-10H3,(H,33,41)(H,34,38)(H,35,37)/t21-,22-,24-,25-,26-/m0/s1
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| InChIKey |
GVPKHFAZIXLUBM-AEFDYNLKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound